SCHEMBL7575006

SCHEMBL7575006

O=C(O)C(Nc1cc(O)c(O)c(O)c1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.42
HKDC1 Q2TB90 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39
TOP1 P11387 2/20 0.39
TOP2A P11388 2/20 0.39
TOP2B Q02880 2/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.38
NSD2 O96028 1/20 0.38
RPS6KB1 P23443 2/20 0.37
AURKA O14965 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2483519 0.81 FPR2 (0.49) FPR2CA1CA2CYP2D6SRC
SCHEMBL2483521 0.81 FPR2 (0.49) FPR2CA1CA2CYP2D6SRC
SCHEMBL146704 0.81 FPR2 (0.49) FPR2CA1CA2CYP2D6SRC
SCHEMBL7576269 0.81 FPR2 (0.41) FPR2CA1CA2LMNAMEN1
SCHEMBL28534876 0.80 FPR2 (0.47) FPR2CA1CA2CYP2D6SRC
SCHEMBL7584713 0.79 CA1 (0.44) FPR2CA1CA2CYP2D6SRC
SCHEMBL7583591 0.79 TDP1 (0.50) FPR2CYP2D6MEN1MAPTTHRB
SCHEMBL2485378 0.79 MEN1 (0.45) FPR2CYP2D6SRCLMNAMAPK1
SCHEMBL7576844 0.79 ALDH1A1 (0.56) FPR2LMNAMEN1MAPTKMT2A
SCHEMBL7574997 0.79 CA2 (0.44) FPR2CA1CA2LMNAMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242069-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2002-09-25 EP disclosed
WO-2001003684-A2 ALBUMIN-BINDING COMPOUNDS THAT PREVENT NONENZYMATIC GLYCATION AND THAT MAY BE USED FOR TREATMENT OF GLYCATION-RELATED PATHOLOGIES EXOCELL, INC. (US) 2001-01-18 WO disclosed